Literature DB >> 12896861

Use of QSARs in international decision-making frameworks to predict ecologic effects and environmental fate of chemical substances.

Mark T D Cronin1, John D Walker, Joanna S Jaworska, Michael H I Comber, Christopher D Watts, Andrew P Worth.   

Abstract

This article is a review of the use, by regulatory agencies and authorities, of quantitative structure-activity relationships (QSARs) to predict ecologic effects and environmental fate of chemicals. For many years, the U.S. Environmental Protection Agency has been the most prominent regulatory agency using QSARs to predict the ecologic effects and environmental fate of chemicals. However, as increasing numbers of standard QSAR methods are developed and validated to predict ecologic effects and environmental fate of chemicals, it is anticipated that more regulatory agencies and authorities will find them to be acceptable alternatives to chemical testing.

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Year:  2003        PMID: 12896861      PMCID: PMC1241621          DOI: 10.1289/ehp.5759

Source DB:  PubMed          Journal:  Environ Health Perspect        ISSN: 0091-6765            Impact factor:   9.031


  26 in total

1.  Reliable assessment of logP of compounds of pharmaceutical relevance.

Authors:  V K Gombar
Journal:  SAR QSAR Environ Res       Date:  1999       Impact factor: 3.000

2.  Classifying environmental pollutants: Part 3. External validation of the classification system.

Authors:  H J Verhaar; J Solbé; J Speksnijder; C J van Leeuwen; J L Hermens
Journal:  Chemosphere       Date:  2000-04       Impact factor: 7.086

3.  QSAR and chemometric approaches for setting water quality objectives for dangerous chemicals.

Authors:  M Vighi; P Gramatica; F Consolaro; R Todeschini
Journal:  Ecotoxicol Environ Saf       Date:  2001-07       Impact factor: 6.291

Review 4.  A review of structure-based biodegradation estimation methods.

Authors:  J W Raymond; T N Rogers; D R Shonnard; A A Kline
Journal:  J Hazard Mater       Date:  2001-06-29       Impact factor: 10.588

5.  QSAR approach to POPs screening for atmospheric persistence.

Authors:  P Gramatica; F Consolaro; S Pozzi
Journal:  Chemosphere       Date:  2001 May-Jun       Impact factor: 7.086

6.  Uses and limitations of quantitative structure-activity relationships (QSARs) to categorize substances on the Canadian domestic substance list as persistent and/or bioaccumulative, and inherently toxic to non-human organisms.

Authors:  D MacDonald; R Breton; R Sutcliffe; J Walker
Journal:  SAR QSAR Environ Res       Date:  2002-03       Impact factor: 3.000

7.  QSAR models using a large diverse set of estrogens.

Authors:  L M Shi; H Fang; W Tong; J Wu; R Perkins; R M Blair; W S Branham; S L Dial; C L Moland; D M Sheehan
Journal:  J Chem Inf Comput Sci       Date:  2001 Jan-Feb

8.  Probabilistic assessment of biodegradability based on metabolic pathways: catabol system.

Authors:  J Jaworska; S Dimitrov; N Nikolova; O Mekenyan
Journal:  SAR QSAR Environ Res       Date:  2002-03       Impact factor: 3.000

9.  An integrated "4-phase" approach for setting endocrine disruption screening priorities--phase I and II predictions of estrogen receptor binding affinity.

Authors:  L Shi; W Tong; H Fang; Q Xie; H Hong; R Perkins; J Wu; M Tu; R M Blair; W S Branham; C Waller; J Walker; D M Sheehan
Journal:  SAR QSAR Environ Res       Date:  2002-03       Impact factor: 3.000

10.  Prediction of estrogen receptor binding for 58,000 chemicals using an integrated system of a tree-based model with structural alerts.

Authors:  Huixiao Hong; Weida Tong; Hong Fang; Leming Shi; Qian Xie; Jie Wu; Roger Perkins; John D Walker; William Branham; Daniel M Sheehan
Journal:  Environ Health Perspect       Date:  2002-01       Impact factor: 9.031

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  15 in total

1.  Global structure-activity relationship model for nonmutagenic carcinogens using virtual ligand-protein interactions as model descriptors.

Authors:  Albert R Cunningham; C Alex Carrasquer; Shahid Qamar; Jon M Maguire; Suzanne L Cunningham; John O Trent
Journal:  Carcinogenesis       Date:  2012-06-07       Impact factor: 4.944

2.  Prediction of the Fate of Organic Compounds in the Environment From Their Molecular Properties: A Review.

Authors:  Laure Mamy; Dominique Patureau; Enrique Barriuso; Carole Bedos; Fabienne Bessac; Xavier Louchart; Fabrice Martin-Laurent; Cecile Miege; Pierre Benoit
Journal:  Crit Rev Environ Sci Technol       Date:  2015-06-18       Impact factor: 12.561

3.  Acute aquatic toxicity of organic solvents modeled by QSARs.

Authors:  A Levet; C Bordes; Y Clément; P Mignon; C Morell; H Chermette; P Marote; P Lantéri
Journal:  J Mol Model       Date:  2016-11-09       Impact factor: 1.810

4.  Mammary carcinogen-protein binding potentials: novel and biologically relevant structure-activity relationship model descriptors.

Authors:  A R Cunningham; S Qamar; C A Carrasquer; P A Holt; J M Maguire; S L Cunningham; J O Trent
Journal:  SAR QSAR Environ Res       Date:  2010-07       Impact factor: 3.000

5.  Extrapolation of toxic indices among test objects.

Authors:  Miloň Tichý; Marián Rucki; Zdeněk Roth; Iveta Hanzlíková; Alena Vlková; Jana Tumová; Rút Uzlová
Journal:  Interdiscip Toxicol       Date:  2010-12

6.  Mechanisms of action of (meth)acrylates in hemolytic activity, in vivo toxicity and dipalmitoylphosphatidylcholine (DPPC) liposomes determined using NMR spectroscopy.

Authors:  Seiichiro Fujisawa; Yoshinori Kadoma
Journal:  Int J Mol Sci       Date:  2012-01-12       Impact factor: 6.208

7.  Chemical properties of air pollutants and cause-specific hospital admissions among the elderly in Atlanta, Georgia.

Authors:  Helen H Suh; Antonella Zanobetti; Joel Schwartz; Brent A Coull
Journal:  Environ Health Perspect       Date:  2011-06-27       Impact factor: 9.031

Review 8.  Use of QSARs in international decision-making frameworks to predict health effects of chemical substances.

Authors:  Mark T D Cronin; Joanna S Jaworska; John D Walker; Michael H I Comber; Christopher D Watts; Andrew P Worth
Journal:  Environ Health Perspect       Date:  2003-08       Impact factor: 9.031

Review 9.  The interplay between QSAR/QSPR studies and partial order ranking and formal concept analyses.

Authors:  Lars Carlsen
Journal:  Int J Mol Sci       Date:  2009-04-17       Impact factor: 6.208

10.  Summary of a workshop on regulatory acceptance of (Q)SARs for human health and environmental endpoints.

Authors:  Joanna S Jaworska; M Comber; C Auer; C J Van Leeuwen
Journal:  Environ Health Perspect       Date:  2003-08       Impact factor: 9.031

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